Scientific Program

This year, the SMARTER8 event will be organised in the same week as the PANACEA annual users meeting, both taking place in the beautiful city of Aveiro, Portugal. Those of you who wish to participate in the PANACEA Users Meeting are more than welcome to prolong your stay in Aveiro for an extra day (registration is free but mandatory).

Bradley Chmelka

Chemical Engineering at UC Santa Barbara, USA

www Biography

Bradley Chmelka

Chemical Engineering at UC Santa Barbara, USA

https://sites.chemengr.ucsb.edu/~ceweb/faculty/bradc/index.html

Research interests: correlation of macroscopic material properties and function with molecular structure and dynamics, particularly in heterogeneous macromolecular solids. Development and application of NMR methods for characterizing structure, dynamics, adsorption, transport, and reaction properties of new solid-state materials.

Michal Leskes

Weizmann Institute of Science, Israel

www Biography

Michal Leskes

Weizmann Institute of Science, Israel

https://www.weizmann.ac.il/materials/Leskes/home

Research interests: materials for energy storage and conversion and in the effect of interfacial chemistry on the functionality of electrode and electrolyte materials, using a wide range of magnetic resonance techniques: solid-state NMR, EPR and DNP. In addition we employ common materials science characterization tools, including electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy.

Ute Kolb

Johannes Gutenberg University Mainz, Germany

www Biography

Ute Kolb

Johannes Gutenberg University Mainz, Germany

https://www.ak-kolb.chemistry.uni-mainz.de/

Research interests: structural characterization of nano crystalline materials. As a major tool we use transmission electron microscopy mainly collecting electron diffraction data sampling the three dimensional diffraction space. For this purpose we developed in 2007 the method automated diffraction tomography (ADT). It is applicable to a wide range of TEMs with different equipment and origin. Here we provide a short history and basic description of the method, a series of application cases together with hints how to access special crystallographic questions as well as a description of the data processing programs ADT3D and eADT.

Zhehao Huang

Stockholm University, Sweden

www Biography

Zhehao Huang

Stockholm University, Sweden

https://www.zhehaohuang.com/

Research interests: Three-dimensional electron diffraction (3DED) applied in the structural elucidation of nanoporous materials, advancing knowledge on structure-property relationships. The group is actively developing new 3DED techniques to reveal more details of functional materials, in particular metal-organic frameworks (MOFs). An important advantage of MOFs is the possibility to easily and systematically design and alter the structure and functionality at a molecular level. We are exploring the versatile structures of MOFs, as well as the closely associated properties, in view of applications in heterogeneous catalysis.

Diego Galvez Aranda

Université de Picardie Jules Verne, France

www Biography

Diego Galvez Aranda

Université de Picardie Jules Verne, France

https://www.modeling-electrochemistry.com

Research interests: Development of advanced deep learning models to simulate the operation principles of electrochemical energy materials, interfaces, components and full devices (batteries, fuel cells, electrolyzers...) as well as their manufacturing. Such multiscale models decribe mechanisms along different spatio-temporal scales. Their goal is to provide interpretation of experimental data, to optimize electrochemical energy devices and to provide advanced design guidelines.

Alessandro Curioni

IBM Research, Zurich

www Biography

Alessandro Curioni

IBM Research, Zurich

https://research.ibm.com/people/alessandro-curioni

Research interests: Vice President of IBM Europe and Africa and Director of the IBM Research Lab in Zurich, Switzerland. Dr. Curioni is an internationally recognized leader in the area of high-performance computing and computational science, where his innovative thinking and seminal contributions have helped solve some of the most complex scientific and technological problems in healthcare, aerospace, consumer goods and electronics. He was a member of the winning team recognized with the prestigious Gordon Bell Prize in 2013 and 2015. His research interests now include AI, Big Data and novel compute paradigms, such as neuromorphic and quantum computing.

Carlos Bornes

Faculty of Science, Charles University, Prague

www Biography

Carlos Bornes

Faculty of Science, Charles University, Prague

https://scholar.google.com/citations?user=micFH4sAAAAJ&hl=pt-PT

Research interests: use of ab initio methods and neural network potentials to model the structure, reactivity, and dynamics of zeolites under operando conditions, and explore their impact on NMR spectroscopy.

PL - invited plenary lecture

KN - invited keynote lecture

Oral and flash presentations will be selected from the abstracts submitted

Scientific Program

Scientific_Program.pdf

Program Overview

Program_overview.pdf